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MCULE-9504639256
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 123 USD | N/A | 9 working days | Get Quote |
| 5 mg | 159 USD | N/A | 9 working days | Get Quote |
| 10 mg | 164 USD | 98 | 15 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-9504639256.sdf |
| SMILES | MCULE-9504639256.smiles |
| Standard InChI | MCULE-9504639256.inchi |
| InChIKey | MCULE-9504639256.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890186610 | N/A | As is | in stock |
| P-903346175 | N/A | As is | 200 mg |
| P-893279294 | 98 | As is | 198 mg |
| P-854721657 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 531.607 |
| logP | 5.8961 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 11 |
| PSA | 115.04 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 159.0453 |
| Atoms | 69 |
| Rings | 5 |
| Heavy atoms | 40 |
| Hydrogen atoms | 29 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
